Chemical ID: 4702709

COc1cccc(c1)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
Chemical ID:
4702709
Name [?]:
None
SMILES [?]:
COc1cccc(c1)CN2c3cc(ccc3N4CSCC4C2=O)C(F)(F)F
InChi [?]:
InChI=1/C19H17F3N2O2S/c1-26-14-4-2-3-12(7-14)9-23-16-8-13(19(20,21)22)5-6-15(16)24-11-27-10-17(24)18(23)25/h2-8,17H,9-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,6,4,14,15,8,12,9,20,18,7,13,3,16,11,21,22,24,25,26,27,10,17,23,2,19/E:(20,21,22)/rA:27cCOCCCCCCCNCCCCCCNCSCCCOCFFF/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s10s21;d22;s13;s24;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H17F3N2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:8.82499
Area:525.673
Solvation:-4.31683
Coulombic:-50.736
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:394.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.14
LogP (Chemaxon):4.29

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